- About NVIDIA
There are several ongoing projects on accelerating quantum chemistry codes using CUDA-enabled GPUs, including work on Gaussian and GAMESS. The charts below are representative results, followed by links to software and technical reports on CUDA acceleration of computational chemistry.
With the introduction of NVIDIA Tesla Bio Workbench, it provides bio-physicists and computational chemists the tools to push the boundaries of bio-chemical research, optimizing the scientific workflow and accelerating the pace of research. Learn more.
|Direct self-consistent field (SCF) calculations
Ufimtsev and Martinez
|Two-Electron integral evaluation
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